SCHEMBL7067718

SCHEMBL7067718

CC(c1nc2cnccc2[nH]1)c1nc2ccc(C(=O)NCCc3cccc4ccccc34)cc2n1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.40
ACSS2 Q9NR19 3/20 0.39
ROCK2 O75116 2/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
BMPR2 Q13873 1/20 0.38
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NQO2 P16083 1/20 0.36
NPY5R Q15761 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7073124 0.87 ACSS2 (0.38) TRPV1ACSS2MAPTALDH1A1MTNR1A
SCHEMBL7072273 0.86 ADRB2 (0.40) TRPV1ACSS2ATMMAPT
SCHEMBL7070345 0.85 TRPV1 (0.37) TRPV1ACSS2ATMMAPTALDH1A1
SCHEMBL7068312 0.85 ACSS2 (0.37) TRPV1ACSS2ATMMAPTALDH1A1
SCHEMBL7068118 0.84 TRPV1 (0.40) TRPV1ACSS2CDK4CCND1MAPT
SCHEMBL7068297 0.83 TRPV1 (0.43) TRPV1ACSS2ROCK2CDK4CCND1
SCHEMBL7072621 0.81 PDE4A (0.42) ATMALDH1A1L3MBTL1POLBTDP1
SCHEMBL7069727 0.78 TRPV1 (0.36) TRPV1ACSS2MAPTALDH1A1MTNR1A
SCHEMBL7075194 0.78 ACSS2 (0.36) TRPV1ACSS2MAPTALDH1A1MTNR1A
SCHEMBL7073469 0.77 ACSS2 (0.36) TRPV1ACSS2MAPTALDH1A1MTNR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 TRPV1 823/4885ACSS2 609/4885ROCK2 2573/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 TRPV1 954/4885ACSS2 746/4885ROCK2 3857/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.